CID 12440775

5845-30-7

Structural Information

Molecular Formula
C5H12BrN
SMILES
CN(C)CCCBr
InChI
InChI=1S/C5H12BrN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey
BIWJXEPRNRDVPB-UHFFFAOYSA-N
Compound name
3-bromo-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

165.0153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02258 128.6
[M+Na]+ 188.00452 130.2
[M+NH4]+ 183.04912 134.0
[M+K]+ 203.97846 130.3
[M-H]- 164.00802 128.4
[M+Na-2H]- 185.98997 130.9
[M]+ 165.01475 127.5
[M]- 165.01585 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe